Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
 



1154 entries found
with the tags:
  • Wallerberger Markus, Hausoel Andreas, Gunacker Patrik, Kowalski Alexander, Parragh Nicolaus, Goth Florian, Held Karsten, Sangiovanni Giorgio
    w2dynamics: Local one- and two-particle quantities from dynamical mean field theory
    COMPUTER PHYSICS COMMUNICATIONS 235, 388 (2019)
  • Bernsteiner Harald

    Journal of General Physiology
  • Soner Steiner, Gerda Rogl, Hans Flandorfer , Henri Noel, Antonio Pereira

    Journal of Alloys and Compounds
  • Dierich M, van Ham WB, Stary-Weinzinger A, Leitner MG.
    Histidine at position 462 determines the low quinine sensitivity of ether-à-go-go (Eag) channel superfamily member Kv 12.1.
    British Journal of Pharmacology
  • M. Bagheri, P. Blaha:
    DFT calculations of energy dependent XPS valence band spectra
    Journal of Electron Spectroscopy and Related Phenomena, 230 (2019), 1 - 9.
    VSC project: 70296
  • J. Zdenek, F. Kraushofer, M. Bichler, J. Balajka, J. Hulva, J. Pavelec, I. Sokolovic, M. Müllner, M. Setvin, M. Schmid, U. Diebold, P. Blaha, G. Parkinson:
    "Partially Dissociated Water Dimers at the Water?Hematite Interface"
    ACS Energy Letters, 4 (2019), 390 - 396.
    VSC projects: 70296, 71212
  • Axel Maas
    Brout-Englert-Higgs physics: From foundations to phenomenology
    Elsevier
  • Hlib Babii

    Arxiv Preprints
  • Romain Robbes

    ACM
    VSC project: 71161
  • Singraber Andreas
    Compphysvienna/N2P2: Neural Network Potential Package 1.0.0
    Zenodo v1.0.0, (2018)
  • Prenner D, Hrachowitz M, Kaitna R
    Trigger characteristics of torrential flows from high to low alpine regions in Austria.
    The Science of the total environment 658, 958 (2018)
  • Sandler Isolde, Nogueira Juan J, Gonzalez Leticia
    Solvent reorganization triggers photo-induced solvated electron generation in phenol.
    Physical chemistry chemical physics : PCCP None, (2018)
  • Podewitz Maren, Wang Yin, Gkeka Paraskevi, von Grafenstein Susanne, Liedl Klaus R, Cournia Zoe
    Phase Diagram of a Stratum Corneum Lipid Mixture.
    The journal of physical chemistry. B 122, 10505 (2018)
  • Steiner Soner, Rogl Gerda, Michor Herwig, Rogl Peter, Giester Gerald, Goncalves Antonio Pereira
    Structure and properties of a novel boride: ThNi
    Dalton transactions (Cambridge, England : 2003) None, (2018)
  • Hellerschmied Andreas, McCallum Lucia, McCallum Jamie, Sun Jing, Bohm Johannes, Cao Jianfeng
    Observing APOD with the AuScope VLBI Array.
    Sensors (Basel, Switzerland) 18, (2018)
  • Schuetz Doris Alexandra, Richter Lars, Amaral Marta, Grandits Melanie, Graedler Ulrich, Musil Djordje, Buchstaller Hans-Peter, Eggenweiler Hans-Michael, Frech Matthias, Ecker Gerhard F
    Ligand Desolvation steers on-rate and impacts Drug Residence Time of Heat shock protein 90 (Hsp90) Inhibitors.
    Journal of medicinal chemistry None, (2018)
  • Baburin Igor, Varkevisser Rosanne, Schramm Anja, Saxena Priyanka, Beyl Stanislav, Szkokan Phillip, Linder Tobias, Stary-Weinzinger Anna, van der Heyden Marcel A G, Houtman Marien, Takanari Hiroki, Jonsson Malin, Beekman Jet H D, Hamburger Matthias, Vos Ma
    Dehydroevodiamine and hortiamine, alkaloids from the traditional Chinese herbal drug Evodia rutaecarpa, are I
    Pharmacological research None, (2018)
  • Failamani F, Podloucky R, Bursik J, Rogl G, Michor H, Muller H, Bauer E, Giester G, Rogl P
    Boron-phil and boron-phob structure units in novel borides Ni
    Dalton transactions (Cambridge, England : 2003) 47, 3303 (2018)
  • Winkler Christian, Harivyasi Shashank S., Zojer Egbert
    Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design
    2D MATERIALS 5, 035019 (2018)
  • Acosta-Alvear Diego, Karagoez G. Elif, Froehlich Florian, Li Han, Walther Tobias C., Walter Peter
    The unfolded protein response and endoplasmic reticulum protein targeting machineries converge on the stress sensor IRE1
    ELIFE 7, e43036 (2018)
  • Gaertner Michael, Sauter Eric, Nascimbeni Giulia, Petritz Andreas, Wiesner Adrian, Kind Martin, Abu-Husein Tarek, Bolte Michael, Stadlober Barbara, Zojer Egbert, Terfort Andreas, Zharnikov Michael
    Understanding the Properties of Tailor-Made Self-Assembled Monolayers with Embedded Dipole Moments for Interface Engineering
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 28757 (2018)
  • Ahmadi Somayeh, Roccon Alessio, Zonta Francesco, Soldati Alfredo
    Turbulent drag reduction in channel flow with viscosity stratified fluids
    COMPUTERS & FLUIDS 176, 260 (2018)
  • Menger Maximilian F. S. J., Plasser Felix, Mennucci Benedetta, Gonzalez Leticia
    Surface Hopping within an Exciton Picture. An Electrostatic Embedding Scheme
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 6139 (2018)
  • Ballicchia Mauro, Weinbub Josef, Nedjalkov Mihail
    Electron evolution around a repulsive dopant in a quantum wire: coherence effects
    NANOSCALE 10, 23037 (2018)
  • Gerbert David, Hofmann Oliver T., Tegeder Petra
    Formation of Occupied and Unoccupied Hybrid Bands at Interfaces between Metals and Organic Donors/Acceptors
    JOURNAL OF PHYSICAL CHEMISTRY C 122, 27554 (2018)
  • De Vetta Martina, Baig Omar, Steen Dorika, Nogueira Juan J., Gonzalez Leticia
    Assessing Configurational Sampling in the Quantum Mechanics/Molecular Mechanics Calculation of Temoporfin Absorption Spectrum and Triplet Density of States
    MOLECULES 23, 2932 (2018)
  • Mai Sebastian, Mohamadzade Abed, Marquetand Philipp, Gonzalez Leticia, Ullrich Susanne
    Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil
    MOLECULES 23, 2836 (2018)
  • Gnam Lukas, Manstetten Paul, Hossinger Andreas, Selberherr Siegfried, Weinbub Josef
    Accelerating Flux Calculations Using Sparse Sampling
    MICROMACHINES 9, 550 (2018)
  • Cheng Bingqing, Dellago Christoph, Ceriotti Michele
    Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20, 28732 (2018)
  • Cardelli Chiara, Tubiana Luca, Bianco Valentino, Nerattini Francesca, Dellago Christoph, Coluzza Ivan
    Heteropolymer Design and Folding of Arbitrary Topologies Reveals an Unexpected Role of Alphabet Size on the Knot Population
    MACROMOLECULES 51, 8346 (2018)

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